SCHEMBL496315

SCHEMBL496315

CC(C)CNC(=O)C1CCCN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.60
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
REN P00797 12/20 0.52
ACE P12821 1/20 0.49
MAPK1 P28482 1/20 0.47
CMA1 P23946 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL496474 0.92 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496475 0.92 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496314 0.90 KLK5 (0.63) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495900 0.87 ADORA3 (0.64) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495899 0.87 ADORA3 (0.64) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496156 0.85 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496157 0.85 KLK5 (0.61) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL496310 0.83 GPR119 (0.43) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL495742 0.83 KLK5 (0.62) KLK5ADORA3ADORA2AADORA2BADORA1
SCHEMBL9581380 0.82 KLK5 (0.59) KLK5ADORA3ADORA2AADORA2BADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 KLK5 3927/4885ADORA3 223/4885ADORA2A 1170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.